1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide

C7H16N6O2S — CID 106051381

IUPAC1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C7H16N6O2S/c1-5(4-8-3)16(14,15)11-6(2)7-9-12-13-10-7/h5-6,8,11H,4H2,1-3H3,(H,9,10,12,13)
InChIKeyNGFZTHKXHTYIMO-UHFFFAOYSA-N
MW248.31 g/mol
LogP-1.21
Rot. Bonds6

About 1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide

1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide (PubChem CID 106051381) has the molecular formula C7H16N6O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide
PubChem CID106051381
Molecular FormulaC7H16N6O2S
Molecular Weight248.31 g/mol
Exact Mass248.11
IUPAC Name1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C7H16N6O2S/c1-5(4-8-3)16(14,15)11-6(2)7-9-12-13-10-7/h5-6,8,11H,4H2,1-3H3,(H,9,10,12,13)
InChIKeyNGFZTHKXHTYIMO-UHFFFAOYSA-N
XLogP-1.21
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide
CID 107651825
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
CID 106051448
2,6-dimethyl-4-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107328797
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
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
2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051400
1-ethyl-5-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051433
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea
CID 116507980

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide (CID 106051381) is 1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide is CNCC(C)S(=O)(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of 1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide?
The InChIKey is NGFZTHKXHTYIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6O2S/c1-5(4-8-3)16(14,15)11-6(2)7-9-12-13-10-7/h5-6,8,11H,4H2,1-3H3,(H,9,10,12,13).
What are the key properties of 1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide?
1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 106051381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).