3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine

C11H25N3O2S — CID 106126084

IUPAC3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESCC(C)(C)NS(=O)(=O)NCC1CCCC(N)C1
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)14-17(15,16)13-8-9-5-4-6-10(12)7-9/h9-10,13-14H,4-8,12H2,1-3H3
InChIKeyAWINEVLPAYJLJF-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.73
Rot. Bonds4

About 3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine

3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine (PubChem CID 106126084) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine
PubChem CID106126084
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESCC(C)(C)NS(=O)(=O)NCC1CCCC(N)C1
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)14-17(15,16)13-8-9-5-4-6-10(12)7-9/h9-10,13-14H,4-8,12H2,1-3H3
InChIKeyAWINEVLPAYJLJF-UHFFFAOYSA-N
XLogP0.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126062
N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide
CID 114146871
N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 114146872
3-[(methylsulfamoylamino)methyl]cyclobutan-1-amine
CID 114812877
N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106126037
N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
CID 106126034
N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline
CID 106128111
N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123178
N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106123823
1-cyclopropyl-N-(methylsulfamoyl)methanamine
CID 130639656
N-[(3-aminocyclobutyl)methyl]methanesulfonamide
CID 66005835
N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
CID 114146780

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine (CID 106126084) is 3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine is CC(C)(C)NS(=O)(=O)NCC1CCCC(N)C1.
What is the InChIKey of 3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine?
The InChIKey is AWINEVLPAYJLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-11(2,3)14-17(15,16)13-8-9-5-4-6-10(12)7-9/h9-10,13-14H,4-8,12H2,1-3H3.
What are the key properties of 3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine?
3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106126084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).