(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide

C9H17N5OS — CID 9379297

IUPAC(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)[C@H](C)Sc1nnnn1C(C)(C)C
InChIInChI=1S/C9H17N5OS/c1-6(7(15)10-5)16-8-11-12-13-14(8)9(2,3)4/h6H,1-5H3,(H,10,15)/t6-/m0/s1
InChIKeyVWLDWYIJXWYVDG-LURJTMIESA-N
MW243.34 g/mol
LogP0.65
Rot. Bonds3

About (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide

(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide (PubChem CID 9379297) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide
PubChem CID9379297
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)[C@H](C)Sc1nnnn1C(C)(C)C
InChIInChI=1S/C9H17N5OS/c1-6(7(15)10-5)16-8-11-12-13-14(8)9(2,3)4/h6H,1-5H3,(H,10,15)/t6-/m0/s1
InChIKeyVWLDWYIJXWYVDG-LURJTMIESA-N
XLogP0.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 27046259
(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 9379326
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide
CID 75503014
(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(2-cyanophenyl)propanamide
CID 9381473
2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(4-chlorophenyl)propan-1-one
CID 46638786
(2S)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 41312479
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 41312485
(2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 41273581
N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide
CID 18098754
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(2-chloro-5-nitrophenyl)propanamide
CID 46639090
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 51258457
2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 46639134

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide?
The IUPAC name of (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide (CID 9379297) is (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide?
The canonical SMILES for (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide is CNC(=O)[C@H](C)Sc1nnnn1C(C)(C)C.
What is the InChIKey of (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide?
The InChIKey is VWLDWYIJXWYVDG-LURJTMIESA-N. The full InChI is InChI=1S/C9H17N5OS/c1-6(7(15)10-5)16-8-11-12-13-14(8)9(2,3)4/h6H,1-5H3,(H,10,15)/t6-/m0/s1.
What are the key properties of (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide?
(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide has a molecular weight of 243.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 9379297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).