(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine

C12H27N3O2S — CID 70870757

IUPAC(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine
SMILESCN[C@H](CN(C)S(=O)(=O)N(C)C1CC1)C(C)(C)C
InChIInChI=1S/C12H27N3O2S/c1-12(2,3)11(13-4)9-14(5)18(16,17)15(6)10-7-8-10/h10-11,13H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyJMPPQLGSMGOOSK-LLVKDONJSA-N
MW277.43 g/mol
LogP0.89
Rot. Bonds6

About (2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine

(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine (PubChem CID 70870757) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is (2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine
PubChem CID70870757
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine
SMILESCN[C@H](CN(C)S(=O)(=O)N(C)C1CC1)C(C)(C)C
InChIInChI=1S/C12H27N3O2S/c1-12(2,3)11(13-4)9-14(5)18(16,17)15(6)10-7-8-10/h10-11,13H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyJMPPQLGSMGOOSK-LLVKDONJSA-N
XLogP0.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine (CID 70870757) is (2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine is CN[C@H](CN(C)S(=O)(=O)N(C)C1CC1)C(C)(C)C.
What is the InChIKey of (2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
The InChIKey is JMPPQLGSMGOOSK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-12(2,3)11(13-4)9-14(5)18(16,17)15(6)10-7-8-10/h10-11,13H,7-9H2,1-6H3/t11-/m1/s1.
What are the key properties of (2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine?
(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine has a molecular weight of 277.43 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine is sourced from PubChem (CID 70870757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).