N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C14H27N5OS — CID 2423124

IUPACN,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)CCN(CCC(C)C)C(=O)CSc1nnnn1C
InChIInChI=1S/C14H27N5OS/c1-11(2)6-8-19(9-7-12(3)4)13(20)10-21-14-15-16-17-18(14)5/h11-12H,6-10H2,1-5H3
InChIKeyMXJYDQSNYGUKJP-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.22
Rot. Bonds9

About N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2423124) has the molecular formula C14H27N5OS and a molecular weight of 313.47 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2423124
Molecular FormulaC14H27N5OS
Molecular Weight313.47 g/mol
Exact Mass313.19
IUPAC NameN,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)CCN(CCC(C)C)C(=O)CSc1nnnn1C
InChIInChI=1S/C14H27N5OS/c1-11(2)6-8-19(9-7-12(3)4)13(20)10-21-14-15-16-17-18(14)5/h11-12H,6-10H2,1-5H3
InChIKeyMXJYDQSNYGUKJP-UHFFFAOYSA-N
XLogP2.22
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2423124) is N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CC(C)CCN(CCC(C)C)C(=O)CSc1nnnn1C.
What is the InChIKey of N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is MXJYDQSNYGUKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5OS/c1-11(2)6-8-19(9-7-12(3)4)13(20)10-21-14-15-16-17-18(14)5/h11-12H,6-10H2,1-5H3.
What are the key properties of N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 313.47 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2423124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).