(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane

C11H27N3O2S — CID 58821505

IUPAC(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane
SMILESCC(C)N[C@H](CNS(=O)(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C11H27N3O2S/c1-9(2)13-10(11(3,4)5)8-12-17(15,16)14(6)7/h9-10,12-13H,8H2,1-7H3/t10-/m1/s1
InChIKeyZAMXEBRPYLXRSY-SNVBAGLBSA-N
MW265.42 g/mol
LogP0.80
Rot. Bonds6

About (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane

(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane (PubChem CID 58821505) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane.

Molecular Properties

Compound Name(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane
PubChem CID58821505
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC Name(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane
SMILESCC(C)N[C@H](CNS(=O)(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C11H27N3O2S/c1-9(2)13-10(11(3,4)5)8-12-17(15,16)14(6)7/h9-10,12-13H,8H2,1-7H3/t10-/m1/s1
InChIKeyZAMXEBRPYLXRSY-SNVBAGLBSA-N
XLogP0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane?
The IUPAC name of (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane (CID 58821505) is (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane.
What is the SMILES notation for (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane?
The canonical SMILES for (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane is CC(C)N[C@H](CNS(=O)(=O)N(C)C)C(C)(C)C.
What is the InChIKey of (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane?
The InChIKey is ZAMXEBRPYLXRSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-9(2)13-10(11(3,4)5)8-12-17(15,16)14(6)7/h9-10,12-13H,8H2,1-7H3/t10-/m1/s1.
What are the key properties of (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane?
(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane has a molecular weight of 265.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane is sourced from PubChem (CID 58821505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).