4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine

C11H25N3O2S — CID 106126251

IUPAC4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESCC(C)CNS(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C11H25N3O2S/c1-9(2)7-13-17(15,16)14-8-10-3-5-11(12)6-4-10/h9-11,13-14H,3-8,12H2,1-2H3
InChIKeyCXLPBVFKEXLJDV-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.58
Rot. Bonds6

About 4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine

4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine (PubChem CID 106126251) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine
PubChem CID106126251
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESCC(C)CNS(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C11H25N3O2S/c1-9(2)7-13-17(15,16)14-8-10-3-5-11(12)6-4-10/h9-11,13-14H,3-8,12H2,1-2H3
InChIKeyCXLPBVFKEXLJDV-UHFFFAOYSA-N
XLogP0.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol
CID 114147014
N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 162624935
N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2-methylpropan-1-amine
CID 114816751
methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
CID 106126310
1-cyclopropyl-N-(methylsulfamoyl)methanamine
CID 130639656
N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide
CID 106125438
1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine
CID 114814968
4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 18722066
1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 112687372
3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126062
3-[(methylsulfamoylamino)methyl]cyclobutan-1-amine
CID 114812877
2-methyl-3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815684

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine (CID 106126251) is 4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine is CC(C)CNS(=O)(=O)NCC1CCC(N)CC1.
What is the InChIKey of 4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine?
The InChIKey is CXLPBVFKEXLJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-9(2)7-13-17(15,16)14-8-10-3-5-11(12)6-4-10/h9-11,13-14H,3-8,12H2,1-2H3.
What are the key properties of 4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine?
4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106126251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).