1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine

C10H22ClNO2S — CID 106731043

IUPAC1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)(CC)CCl
InChIInChI=1S/C10H22ClNO2S/c1-4-7-15(13,14)8-6-12-10(3,5-2)9-11/h12H,4-9H2,1-3H3
InChIKeyAULFUMSWRXRFNX-UHFFFAOYSA-N
MW255.81 g/mol
LogP1.81
Rot. Bonds8

About 1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine

1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine (PubChem CID 106731043) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is 1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine.

Molecular Properties

Compound Name1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine
PubChem CID106731043
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC Name1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)(CC)CCl
InChIInChI=1S/C10H22ClNO2S/c1-4-7-15(13,14)8-6-12-10(3,5-2)9-11/h12H,4-9H2,1-3H3
InChIKeyAULFUMSWRXRFNX-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 65024453
1-chloro-N-(3-ethylsulfonylpropyl)-2-methylbutan-2-amine
CID 65096930
3-(chloromethyl)-N-(2-propylsulfonylethyl)pentan-3-amine
CID 106731053
1-chloro-2-methyl-N-propylbutan-2-amine
CID 65024728
3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol
CID 106724525
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
1-propylsulfonylpropane
CID 11709
N-(1-chloro-2-methylbutan-2-yl)-2-methylpropane-2-sulfonamide
CID 65032363
1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine
CID 104649741
3,3-bis(chloromethyl)-1-propylsulfonylhexane
CID 106734849
2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine
CID 107757784

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine?
The IUPAC name of 1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine (CID 106731043) is 1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine.
What is the SMILES notation for 1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine?
The canonical SMILES for 1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine is CCCS(=O)(=O)CCNC(C)(CC)CCl.
What is the InChIKey of 1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine?
The InChIKey is AULFUMSWRXRFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-4-7-15(13,14)8-6-12-10(3,5-2)9-11/h12H,4-9H2,1-3H3.
What are the key properties of 1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine?
1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine has a molecular weight of 255.81 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-N-(2-propylsulfonylethyl)butan-2-amine is sourced from PubChem (CID 106731043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).