3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine

C14H31NO2S — CID 106735479

IUPAC3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine
SMILESCC(C)CNCCC(C)(C)CCS(=O)(=O)C(C)C
InChIInChI=1S/C14H31NO2S/c1-12(2)11-15-9-7-14(5,6)8-10-18(16,17)13(3)4/h12-13,15H,7-11H2,1-6H3
InChIKeyHCZIZMWYXPGCOU-UHFFFAOYSA-N
MW277.47 g/mol
LogP2.86
Rot. Bonds9

About 3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine

3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine (PubChem CID 106735479) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine
PubChem CID106735479
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Name3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine
SMILESCC(C)CNCCC(C)(C)CCS(=O)(=O)C(C)C
InChIInChI=1S/C14H31NO2S/c1-12(2)11-15-9-7-14(5,6)8-10-18(16,17)13(3)4/h12-13,15H,7-11H2,1-6H3
InChIKeyHCZIZMWYXPGCOU-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
CID 64675618
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730330
3,3-dimethyl-N-(2-methylpropyl)octan-1-amine
CID 81033930
6-methoxy-3,3-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 81033785
N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine
CID 81023264
N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729966
N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729671
2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106731318
3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
CID 106724486
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine (CID 106735479) is 3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine is CC(C)CNCCC(C)(C)CCS(=O)(=O)C(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine?
The InChIKey is HCZIZMWYXPGCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-12(2)11-15-9-7-14(5,6)8-10-18(16,17)13(3)4/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine?
3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine has a molecular weight of 277.47 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine is sourced from PubChem (CID 106735479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).