5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine

C11H24ClNO2S — CID 106153515

IUPAC5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
SMILESCC(CCl)CCCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C11H24ClNO2S/c1-10(2)16(14,15)8-7-13-6-4-5-11(3)9-12/h10-11,13H,4-9H2,1-3H3
InChIKeyRYLQNOZKJOQWDV-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.05
Rot. Bonds9

About 5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine

5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine (PubChem CID 106153515) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
PubChem CID106153515
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC Name5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
SMILESCC(CCl)CCCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C11H24ClNO2S/c1-10(2)16(14,15)8-7-13-6-4-5-11(3)9-12/h10-11,13H,4-9H2,1-3H3
InChIKeyRYLQNOZKJOQWDV-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 114097748
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine
CID 106153170
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
N-(5-chloro-4-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 106158833
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The IUPAC name of 5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine (CID 106153515) is 5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine is CC(CCl)CCCNCCS(=O)(=O)C(C)C.
What is the InChIKey of 5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The InChIKey is RYLQNOZKJOQWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-10(2)16(14,15)8-7-13-6-4-5-11(3)9-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine has a molecular weight of 269.84 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine is sourced from PubChem (CID 106153515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).