2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine

C10H23NO2S — CID 106729796

IUPAC2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCCC(C)(CN)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-5-10(4,8-11)6-7-14(12,13)9(2)3/h9H,5-8,11H2,1-4H3
InChIKeySRXAIVYPLOYNRR-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.57
Rot. Bonds6

About 2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine

2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106729796) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106729796
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCCC(C)(CN)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-5-10(4,8-11)6-7-14(12,13)9(2)3/h9H,5-8,11H2,1-4H3
InChIKeySRXAIVYPLOYNRR-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729782
2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62724307
N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729966
4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine
CID 65256393
2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine
CID 106729780
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 106722764
2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine
CID 106726948
4-amino-4-methyl-1-propan-2-ylsulfonylheptan-3-one
CID 106736228
ethyl 2-methyl-2-(2-propan-2-ylsulfonylethyl)but-3-enoate
CID 106727890
1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 106731302
3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane
CID 106734912

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine (CID 106729796) is 2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine is CCC(C)(CN)CCS(=O)(=O)C(C)C.
What is the InChIKey of 2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is SRXAIVYPLOYNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-10(4,8-11)6-7-14(12,13)9(2)3/h9H,5-8,11H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106729796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).