N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride

C14H22ClN3O3S3 — CID 119512106

IUPACN-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1sccc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C14H21N3O3S3.ClH/c18-14(16-10-11-2-1-4-15-11)13-12(3-7-22-13)23(19,20)17-5-8-21-9-6-17;/h3,7,11,15H,1-2,4-6,8-10H2,(H,16,18);1H
InChIKeySRXSJZAJFJWVER-UHFFFAOYSA-N
MW412.00 g/mol
LogP1.39
Rot. Bonds5

About N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride

N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride (PubChem CID 119512106) has the molecular formula C14H22ClN3O3S3 and a molecular weight of 412.00 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
PubChem CID119512106
Molecular FormulaC14H22ClN3O3S3
Molecular Weight412.00 g/mol
Exact Mass411.05
IUPAC NameN-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1sccc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C14H21N3O3S3.ClH/c18-14(16-10-11-2-1-4-15-11)13-12(3-7-22-13)23(19,20)17-5-8-21-9-6-17;/h3,7,11,15H,1-2,4-6,8-10H2,(H,16,18);1H
InChIKeySRXSJZAJFJWVER-UHFFFAOYSA-N
XLogP1.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.00
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpiperidin-3-yl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 120575277
N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119535631
N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119431684
3-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 62541792
4-methyl-3-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514288
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510642
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 167886194
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 119513985
N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 38028874

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride (CID 119512106) is N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1sccc1S(=O)(=O)N1CCSCC1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
The InChIKey is SRXSJZAJFJWVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S3.ClH/c18-14(16-10-11-2-1-4-15-11)13-12(3-7-22-13)23(19,20)17-5-8-21-9-6-17;/h3,7,11,15H,1-2,4-6,8-10H2,(H,16,18);1H.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride?
N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride has a molecular weight of 412.00 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119512106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).