1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide

C12H18N6O2S — CID 106051448

IUPAC1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
SMILESCNCc1ccc(CS(=O)(=O)NC(C)c2nn[nH]n2)cc1
InChIInChI=1S/C12H18N6O2S/c1-9(12-14-17-18-15-12)16-21(19,20)8-11-5-3-10(4-6-11)7-13-2/h3-6,9,13,16H,7-8H2,1-2H3,(H,14,15,17,18)
InChIKeyCBLRHMBPYOKVDM-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.10
Rot. Bonds7

About 1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide

1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide (PubChem CID 106051448) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
PubChem CID106051448
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
SMILESCNCc1ccc(CS(=O)(=O)NC(C)c2nn[nH]n2)cc1
InChIInChI=1S/C12H18N6O2S/c1-9(12-14-17-18-15-12)16-21(19,20)8-11-5-3-10(4-6-11)7-13-2/h3-6,9,13,16H,7-8H2,1-2H3,(H,14,15,17,18)
InChIKeyCBLRHMBPYOKVDM-UHFFFAOYSA-N
XLogP0.10
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051400
1-[4-(methylaminomethyl)phenyl]-N-(2H-tetrazol-5-ylmethyl)methanesulfonamide
CID 106051685
1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide
CID 106051381
2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide
CID 107651825
3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 106051367
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 55207573
1-ethyl-5-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051433
5-(aminomethyl)-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051320
5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051346
3-(propylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 114140776
2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide
CID 78977229
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide (CID 106051448) is 1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide is CNCc1ccc(CS(=O)(=O)NC(C)c2nn[nH]n2)cc1.
What is the InChIKey of 1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is CBLRHMBPYOKVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-9(12-14-17-18-15-12)16-21(19,20)8-11-5-3-10(4-6-11)7-13-2/h3-6,9,13,16H,7-8H2,1-2H3,(H,14,15,17,18).
What are the key properties of 1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide?
1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 106051448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).