2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine

C11H22ClNO2S — CID 106731237

IUPAC2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine
SMILESCC(C)(C)S(=O)(=O)CCNCC1(CCl)CC1
InChIInChI=1S/C11H22ClNO2S/c1-10(2,3)16(14,15)7-6-13-9-11(8-12)4-5-11/h13H,4-9H2,1-3H3
InChIKeyKVQPBJKKVVKEII-UHFFFAOYSA-N
MW267.82 g/mol
LogP1.81
Rot. Bonds6

About 2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine

2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine (PubChem CID 106731237) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine
PubChem CID106731237
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Name2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine
SMILESCC(C)(C)S(=O)(=O)CCNCC1(CCl)CC1
InChIInChI=1S/C11H22ClNO2S/c1-10(2,3)16(14,15)7-6-13-9-11(8-12)4-5-11/h13H,4-9H2,1-3H3
InChIKeyKVQPBJKKVVKEII-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 51.81
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

N-[3-(2-chloroethylsulfonyl)propyl]butan-1-amine
CID 19078114
N-[2-(2-chloroethylsulfonyl)ethyl]butan-1-amine
CID 19078116
N-[2-(1-chloroethylsulfonyl)ethyl]butan-1-amine
CID 140356085
N-[3-(1-chloroethylsulfonyl)propyl]butan-1-amine
CID 145826952
1-chloro-2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 65024453
3-chloro-N-(3-methylsulfonylpropyl)butan-1-amine
CID 65024906
N-(2-chloro-2-cyclopropylethyl)-3-methylsulfonylpropan-1-amine
CID 65030159
2-chloro-2-cyclopropyl-N-(2-methylsulfonylethyl)ethanamine
CID 65030337
3-chloro-N-(3-ethylsulfonylpropyl)butan-1-amine
CID 65096874
1-chloro-N-(3-ethylsulfonylpropyl)-2-methylbutan-2-amine
CID 65096930
N-(2-chloro-2-cyclopropylethyl)-3-ethylsulfonylpropan-1-amine
CID 65097034
3-chloro-N-(3-ethylsulfonylpropyl)-2-methylpropan-1-amine
CID 65097035

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine (CID 106731237) is 2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine is CC(C)(C)S(=O)(=O)CCNCC1(CCl)CC1.
What is the InChIKey of 2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine?
The InChIKey is KVQPBJKKVVKEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-10(2,3)16(14,15)7-6-13-9-11(8-12)4-5-11/h13H,4-9H2,1-3H3.
What are the key properties of 2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine?
2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine has a molecular weight of 267.82 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 106731237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).