N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide

C11H23N3O2S — CID 28940474

IUPACN-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C11H23N3O2S/c12-10-11(6-2-1-3-7-11)13-17(15,16)14-8-4-5-9-14/h13H,1-10,12H2
InChIKeySIXPVAOTMJEZCH-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.58
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide

N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide (PubChem CID 28940474) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide
PubChem CID28940474
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C11H23N3O2S/c12-10-11(6-2-1-3-7-11)13-17(15,16)14-8-4-5-9-14/h13H,1-10,12H2
InChIKeySIXPVAOTMJEZCH-UHFFFAOYSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)pyrrolidine-1-sulfonamide
CID 131917277
N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
CID 20774747
3-(2-Piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 67714431
N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine
CID 70278974
N-(2-methylhexan-2-yl)pyrrolidine-1-sulfonamide
CID 138623369
4-[(4,4-Dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 171536639
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
N-[1-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide
CID 28940480
N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
CID 28940482
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484
N-[1-(aminomethyl)cyclopentyl]pyrrolidine-1-sulfonamide
CID 28940512

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide (CID 28940474) is N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide is NCC1(NS(=O)(=O)N2CCCC2)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide?
The InChIKey is SIXPVAOTMJEZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c12-10-11(6-2-1-3-7-11)13-17(15,16)14-8-4-5-9-14/h13H,1-10,12H2.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 28940474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).