N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide

C12H25N3O3S — CID 103967074

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCC1(CO)CCCCC1)N1CCNCC1
InChIInChI=1S/C12H25N3O3S/c16-11-12(4-2-1-3-5-12)10-14-19(17,18)15-8-6-13-7-9-15/h13-14,16H,1-11H2
InChIKeyLGRLRRHNPGCQLK-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.33
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide (PubChem CID 103967074) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
PubChem CID103967074
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCC1(CO)CCCCC1)N1CCNCC1
InChIInChI=1S/C12H25N3O3S/c16-11-12(4-2-1-3-5-12)10-14-19(17,18)15-8-6-13-7-9-15/h13-14,16H,1-11H2
InChIKeyLGRLRRHNPGCQLK-UHFFFAOYSA-N
XLogP-0.33
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
N-[[1-(dimethylamino)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 61252713
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 115755605
N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide
CID 83121463
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
CID 120896907
N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
CID 115365086
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpiperidine-1-sulfonamide
CID 115362866
1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312118
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
CID 103969014
2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide
CID 106177020

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide (CID 103967074) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide is O=S(=O)(NCC1(CO)CCCCC1)N1CCNCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide?
The InChIKey is LGRLRRHNPGCQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c16-11-12(4-2-1-3-5-12)10-14-19(17,18)15-8-6-13-7-9-15/h13-14,16H,1-11H2.
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 103967074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).