N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide

C12H23N5OS — CID 652193

IUPACN,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H23N5OS/c1-6-7-16-12(13-14-15-16)19-8-11(18)17(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyQPTDBWSBYPTZIJ-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.82
Rot. Bonds7

About N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide

N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide (PubChem CID 652193) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
PubChem CID652193
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC NameN,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H23N5OS/c1-6-7-16-12(13-14-15-16)19-8-11(18)17(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyQPTDBWSBYPTZIJ-UHFFFAOYSA-N
XLogP1.82
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1383741
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 16318090
N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2338857
N,N-Dicyclohexyl-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 645796
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N,N-diisopropyl-acetamide
CID 653196
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 3212940
N-Cyclopentyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452242
1-Piperidin-1-yl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452245
N-Cyclopentyl-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452344
1-(2,6-Dimethyl-piperidin-1-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 3212929
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 3228975
N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 16309119

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide (CID 652193) is N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide is CCCn1nnnc1SCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is QPTDBWSBYPTZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-6-7-16-12(13-14-15-16)19-8-11(18)17(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 285.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 652193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).