(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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Related Compounds

2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 56817067
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514
N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide
CID 86922267
(2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide
CID 94021049
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145690
2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine
CID 154736628
3-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methylsulfanyl]propanoic acid
CID 21295623
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate
CID 60512817
3-[[1-(4-hydroxycyclohexyl)tetrazol-5-yl]methylsulfanyl]propanoic acid
CID 21295618
(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579031
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250

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).