2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine

C10H23NO2S — CID 64675618

IUPAC2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
SMILESCC(C)CNCCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-9(2)8-11-6-5-7-14(12,13)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyICYZBRLZFAZXMY-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.45
Rot. Bonds7

About 2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine

2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine (PubChem CID 64675618) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
PubChem CID64675618
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
SMILESCC(C)CNCCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-9(2)8-11-6-5-7-14(12,13)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyICYZBRLZFAZXMY-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.45
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

3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine
CID 106735479
N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine
CID 104519219
N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine
CID 106732243
N-[3-(2-methylpropylamino)propyl]ethanesulfonamide
CID 115876188
N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729671
3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
CID 106724486
2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106731318
N-[3-(4-chlorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639801
N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639829
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 114097748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine (CID 64675618) is 2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine is CC(C)CNCCCS(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine?
The InChIKey is ICYZBRLZFAZXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(2)8-11-6-5-7-14(12,13)10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine?
2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine is sourced from PubChem (CID 64675618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).