(2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide

C11H17N5OS — CID 94192936

IUPAC(2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESC[C@@H](SCc1nnnn1C1CC1)C(=O)NC1CC1
InChIInChI=1S/C11H17N5OS/c1-7(11(17)12-8-2-3-8)18-6-10-13-14-15-16(10)9-4-5-9/h7-9H,2-6H2,1H3,(H,12,17)/t7-/m1/s1
InChIKeyJZQIZPLDDCURKS-SSDOTTSWSA-N
MW267.36 g/mol
LogP0.91
Rot. Bonds6

About (2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide

(2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide (PubChem CID 94192936) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide
PubChem CID94192936
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name(2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESC[C@@H](SCc1nnnn1C1CC1)C(=O)NC1CC1
InChIInChI=1S/C11H17N5OS/c1-7(11(17)12-8-2-3-8)18-6-10-13-14-15-16(10)9-4-5-9/h7-9H,2-6H2,1H3,(H,12,17)/t7-/m1/s1
InChIKeyJZQIZPLDDCURKS-SSDOTTSWSA-N
XLogP0.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide (CID 94192936) is (2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide is C[C@@H](SCc1nnnn1C1CC1)C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is JZQIZPLDDCURKS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-7(11(17)12-8-2-3-8)18-6-10-13-14-15-16(10)9-4-5-9/h7-9H,2-6H2,1H3,(H,12,17)/t7-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide?
(2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 267.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 94192936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).