(2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine

C9H22N2O2S — CID 58419964

IUPAC(2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)C[C@H](N)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-9(2,3)14(12,13)7-8(10)6-11(4)5/h8H,6-7,10H2,1-5H3/t8-/m0/s1
InChIKeyVISVBICDKAEVKB-QMMMGPOBSA-N
MW222.35 g/mol
LogP0.09
Rot. Bonds4

About (2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine

(2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 58419964) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is (2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID58419964
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name(2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)C[C@H](N)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-9(2,3)14(12,13)7-8(10)6-11(4)5/h8H,6-7,10H2,1-5H3/t8-/m0/s1
InChIKeyVISVBICDKAEVKB-QMMMGPOBSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of (2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 58419964) is (2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for (2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for (2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine is CN(C)C[C@H](N)CS(=O)(=O)C(C)(C)C.
What is the InChIKey of (2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is VISVBICDKAEVKB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-9(2,3)14(12,13)7-8(10)6-11(4)5/h8H,6-7,10H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine?
(2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 222.35 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-tert-butylsulfonyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 58419964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).