2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine

C12H27N3O2S — CID 63688206

IUPAC2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-11(2,3)18(16,17)15-8-6-14(7-9-15)12(4,5)10-13/h6-10,13H2,1-5H3
InChIKeyISQDYJJQQVPXIB-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.47
Rot. Bonds3

About 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine

2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine (PubChem CID 63688206) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
PubChem CID63688206
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-11(2,3)18(16,17)15-8-6-14(7-9-15)12(4,5)10-13/h6-10,13H2,1-5H3
InChIKeyISQDYJJQQVPXIB-UHFFFAOYSA-N
XLogP0.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-amine
CID 63340933
4-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 55201394
4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 63341236
2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 9161367
2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine
CID 63340805
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine
CID 70325747
3-(4-tert-butylsulfonyl-1,4-diazepan-1-yl)pentan-1-amine
CID 63690057
2-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-amine
CID 63344155
1-tert-butylsulfonyl-4-chloropiperidine
CID 63689196
(1-tert-butylsulfonylpiperidin-3-yl)methanamine
CID 63688999
1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103017482

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine (CID 63688206) is 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine is CC(C)(CN)N1CCN(S(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
The InChIKey is ISQDYJJQQVPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2,3)18(16,17)15-8-6-14(7-9-15)12(4,5)10-13/h6-10,13H2,1-5H3.
What are the key properties of 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine?
2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 63688206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).