N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide

C11H17N5O2S2 — CID 99635605

IUPACN,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C[C@H](C)c2nn[nH]n2)c(C)s1
InChIInChI=1S/C11H17N5O2S2/c1-7(11-12-14-15-13-11)6-16(4)20(17,18)10-5-8(2)19-9(10)3/h5,7H,6H2,1-4H3,(H,12,13,14,15)/t7-/m0/s1
InChIKeyNRSKKAVWRDNPFI-ZETCQYMHSA-N
MW315.42 g/mol
LogP1.30
Rot. Bonds5

About N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide

N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide (PubChem CID 99635605) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide
PubChem CID99635605
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC NameN,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C[C@H](C)c2nn[nH]n2)c(C)s1
InChIInChI=1S/C11H17N5O2S2/c1-7(11-12-14-15-13-11)6-16(4)20(17,18)10-5-8(2)19-9(10)3/h5,7H,6H2,1-4H3,(H,12,13,14,15)/t7-/m0/s1
InChIKeyNRSKKAVWRDNPFI-ZETCQYMHSA-N
XLogP1.30
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide?
The IUPAC name of N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide (CID 99635605) is N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide.
What is the SMILES notation for N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide?
The canonical SMILES for N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(C)C[C@H](C)c2nn[nH]n2)c(C)s1.
What is the InChIKey of N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide?
The InChIKey is NRSKKAVWRDNPFI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-7(11-12-14-15-13-11)6-16(4)20(17,18)10-5-8(2)19-9(10)3/h5,7H,6H2,1-4H3,(H,12,13,14,15)/t7-/m0/s1.
What are the key properties of N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide?
N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide is sourced from PubChem (CID 99635605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).