2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine

C10H22ClNO2S — CID 106731318

IUPAC2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
SMILESCC(C)C(Cl)CNCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H22ClNO2S/c1-8(2)10(11)7-12-5-6-15(13,14)9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyRYTKWBPVYSDPBT-UHFFFAOYSA-N
MW255.81 g/mol
LogP1.66
Rot. Bonds7

About 2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine

2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine (PubChem CID 106731318) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
PubChem CID106731318
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC Name2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
SMILESCC(C)C(Cl)CNCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H22ClNO2S/c1-8(2)10(11)7-12-5-6-15(13,14)9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyRYTKWBPVYSDPBT-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 51.66
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

3-methyl-1-(2-propan-2-ylsulfonylethylamino)butan-2-ol
CID 106724486
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
methyl 2-bromo-3-(2-propan-2-ylsulfonylethylamino)propanoate
CID 106731485
2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
CID 64675618
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106121423
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
N-[(3-methyloxetan-3-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106724002
2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724497
2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 106723973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine?
The IUPAC name of 2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine (CID 106731318) is 2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine.
What is the SMILES notation for 2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine?
The canonical SMILES for 2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine is CC(C)C(Cl)CNCCS(=O)(=O)C(C)C.
What is the InChIKey of 2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine?
The InChIKey is RYTKWBPVYSDPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-8(2)10(11)7-12-5-6-15(13,14)9(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine?
2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine has a molecular weight of 255.81 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 106731318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).