(R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane

C16H25N3OS2 — CID 90708102

IUPAC(R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane
SMILESCC.CC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)c1cnc(N)s1
InChIInChI=1S/C14H19N3OS2.C2H6/c1-14(2,3)20(18)17-12(10-7-5-4-6-8-10)11-9-16-13(15)19-11;1-2/h4-9,12,17H,1-3H3,(H2,15,16);1-2H3/t12-,20+;/m0./s1
InChIKeyKLGRFDYHAKZWPU-XVHUJMMASA-N
MW339.53 g/mol
LogP3.89
Rot. Bonds4

About (R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane

(R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane (PubChem CID 90708102) has the molecular formula C16H25N3OS2 and a molecular weight of 339.53 g/mol. Its IUPAC name is (R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane.

Molecular Properties

Compound Name(R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane
PubChem CID90708102
Molecular FormulaC16H25N3OS2
Molecular Weight339.53 g/mol
Exact Mass339.14
IUPAC Name(R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane
SMILESCC.CC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)c1cnc(N)s1
InChIInChI=1S/C14H19N3OS2.C2H6/c1-14(2,3)20(18)17-12(10-7-5-4-6-8-10)11-9-16-13(15)19-11;1-2/h4-9,12,17H,1-3H3,(H2,15,16);1-2H3/t12-,20+;/m0./s1
InChIKeyKLGRFDYHAKZWPU-XVHUJMMASA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane?
The IUPAC name of (R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane (CID 90708102) is (R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane.
What is the SMILES notation for (R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane?
The canonical SMILES for (R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane is CC.CC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)c1cnc(N)s1.
What is the InChIKey of (R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane?
The InChIKey is KLGRFDYHAKZWPU-XVHUJMMASA-N. The full InChI is InChI=1S/C14H19N3OS2.C2H6/c1-14(2,3)20(18)17-12(10-7-5-4-6-8-10)11-9-16-13(15)19-11;1-2/h4-9,12,17H,1-3H3,(H2,15,16);1-2H3/t12-,20+;/m0./s1.
What are the key properties of (R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane?
(R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane has a molecular weight of 339.53 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane is sourced from PubChem (CID 90708102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).