1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane

C10H23N3O2S — CID 112686327

IUPAC1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane
SMILESCC1CCCC(CNS(N)(=O)=O)(N(C)C)C1
InChIInChI=1S/C10H23N3O2S/c1-9-5-4-6-10(7-9,13(2)3)8-12-16(11,14)15/h9,12H,4-8H2,1-3H3,(H2,11,14,15)
InChIKeyIIUAMLAAIDJCQQ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.29
Rot. Bonds4

About 1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane

1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane (PubChem CID 112686327) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane
PubChem CID112686327
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane
SMILESCC1CCCC(CNS(N)(=O)=O)(N(C)C)C1
InChIInChI=1S/C10H23N3O2S/c1-9-5-4-6-10(7-9,13(2)3)8-12-16(11,14)15/h9,12H,4-8H2,1-3H3,(H2,11,14,15)
InChIKeyIIUAMLAAIDJCQQ-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide
CID 107651664
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
N,N,3-trimethyl-1-[[(2-methylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65045533
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
CID 63622541
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine
CID 54957909

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane (CID 112686327) is 1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane is CC1CCCC(CNS(N)(=O)=O)(N(C)C)C1.
What is the InChIKey of 1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane?
The InChIKey is IIUAMLAAIDJCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-9-5-4-6-10(7-9,13(2)3)8-12-16(11,14)15/h9,12H,4-8H2,1-3H3,(H2,11,14,15).
What are the key properties of 1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane?
1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane has a molecular weight of 249.38 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 112686327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).