(2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine

C10H24N2S — CID 10750740

IUPAC(2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CSC[C@@H](N)C(C)C
InChIInChI=1S/C10H24N2S/c1-7(2)9(11)5-13-6-10(12)8(3)4/h7-10H,5-6,11-12H2,1-4H3/t9-,10-/m1/s1
InChIKeyTVZPVICRWSHZOT-NXEZZACHSA-N
MW204.38 g/mol
LogP1.69
Rot. Bonds6

About (2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine

(2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine (PubChem CID 10750740) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine
PubChem CID10750740
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC Name(2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CSC[C@@H](N)C(C)C
InChIInChI=1S/C10H24N2S/c1-7(2)9(11)5-13-6-10(12)8(3)4/h7-10H,5-6,11-12H2,1-4H3/t9-,10-/m1/s1
InChIKeyTVZPVICRWSHZOT-NXEZZACHSA-N
XLogP1.69
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine (CID 10750740) is (2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine is CC(C)[C@H](N)CSC[C@@H](N)C(C)C.
What is the InChIKey of (2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine?
The InChIKey is TVZPVICRWSHZOT-NXEZZACHSA-N. The full InChI is InChI=1S/C10H24N2S/c1-7(2)9(11)5-13-6-10(12)8(3)4/h7-10H,5-6,11-12H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine?
(2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine has a molecular weight of 204.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-3-methylbutyl]sulfanyl-3-methylbutan-2-amine is sourced from PubChem (CID 10750740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).