(2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C11H18N4OS — CID 7675681

IUPAC(2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(C)n1cnnc1S[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C11H18N4OS/c1-7(2)15-6-12-14-11(15)17-8(3)10(16)13-9-4-5-9/h6-9H,4-5H2,1-3H3,(H,13,16)/t8-/m1/s1
InChIKeyPVPSOTPJHPJXEB-MRVPVSSYSA-N
MW254.36 g/mol
LogP1.62
Rot. Bonds5

About (2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 7675681) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID7675681
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(C)n1cnnc1S[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C11H18N4OS/c1-7(2)15-6-12-14-11(15)17-8(3)10(16)13-9-4-5-9/h6-9H,4-5H2,1-3H3,(H,13,16)/t8-/m1/s1
InChIKeyPVPSOTPJHPJXEB-MRVPVSSYSA-N
XLogP1.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 7675681) is (2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CC(C)n1cnnc1S[C@H](C)C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is PVPSOTPJHPJXEB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7(2)15-6-12-14-11(15)17-8(3)10(16)13-9-4-5-9/h6-9H,4-5H2,1-3H3,(H,13,16)/t8-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 254.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 7675681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).