[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride

C9H17ClN4O2S — CID 119963875

IUPAC[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C9H16N4O2S.ClH/c10-5-8-1-3-13(4-2-8)16(14,15)9-6-11-7-12-9;/h6-8H,1-5,10H2,(H,11,12);1H
InChIKeyDWBYZGHSJURTPZ-UHFFFAOYSA-N
MW280.78 g/mol
LogP0.19
Rot. Bonds3

About [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride

[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119963875) has the molecular formula C9H17ClN4O2S and a molecular weight of 280.78 g/mol. Its IUPAC name is [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID119963875
Molecular FormulaC9H17ClN4O2S
Molecular Weight280.78 g/mol
Exact Mass280.08
IUPAC Name[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C9H16N4O2S.ClH/c10-5-8-1-3-13(4-2-8)16(14,15)9-6-11-7-12-9;/h6-8H,1-5,10H2,(H,11,12);1H
InChIKeyDWBYZGHSJURTPZ-UHFFFAOYSA-N
XLogP0.19
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride
CID 71778822
3-ethyl-1-(1H-imidazol-5-ylsulfonyl)piperidin-4-amine
CID 81457675
3-(bromomethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80675450
(3S)-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 129369823
1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106670954
6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941621
3-bromo-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80676122
1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol
CID 81103360
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 20856427
N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide
CID 113402571
4-(1H-imidazol-5-ylsulfonyl)-7-thiophen-2-yl-1,4-thiazepane
CID 90633102
4-(1H-imidazol-5-ylsulfonyl)-7-(2-methylphenyl)-1,4-thiazepane
CID 90631518

Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride (CID 119963875) is [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is DWBYZGHSJURTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S.ClH/c10-5-8-1-3-13(4-2-8)16(14,15)9-6-11-7-12-9;/h6-8H,1-5,10H2,(H,11,12);1H.
What are the key properties of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 280.78 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119963875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).