[2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride

C15H25ClN4O3S2 — CID 119469232

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1
InChIInChI=1S/C15H24N4O3S2.ClH/c16-10-12-3-1-2-4-19(12)15(20)14-9-13(11-17-14)24(21,22)18-5-7-23-8-6-18;/h9,11-12,17H,1-8,10,16H2;1H
InChIKeyWPVBHNLKZJJUDQ-UHFFFAOYSA-N
MW408.98 g/mol
LogP1.13
Rot. Bonds4

About [2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride (PubChem CID 119469232) has the molecular formula C15H25ClN4O3S2 and a molecular weight of 408.98 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride
PubChem CID119469232
Molecular FormulaC15H25ClN4O3S2
Molecular Weight408.98 g/mol
Exact Mass408.11
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1
InChIInChI=1S/C15H24N4O3S2.ClH/c16-10-12-3-1-2-4-19(12)15(20)14-9-13(11-17-14)24(21,22)18-5-7-23-8-6-18;/h9,11-12,17H,1-8,10,16H2;1H
InChIKeyWPVBHNLKZJJUDQ-UHFFFAOYSA-N
XLogP1.13
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.98
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119612014
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone
CID 81483715
N-[(2S)-1-aminopropan-2-yl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 120508302
N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119575429
N-(2-amino-2-methylpropyl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119629959
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
CID 119467046
N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 119575430
4-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 119467777
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
N-[2-(methylamino)ethyl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 119503707
5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 65389074
4-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 119469574

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride (CID 119469232) is [2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride is Cl.NCC1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride?
The InChIKey is WPVBHNLKZJJUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S2.ClH/c16-10-12-3-1-2-4-19(12)15(20)14-9-13(11-17-14)24(21,22)18-5-7-23-8-6-18;/h9,11-12,17H,1-8,10,16H2;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride has a molecular weight of 408.98 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119469232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).