1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole

C14H29N7O2S — CID 133111543

IUPAC1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole
SMILESCCN(C)S(=O)(=O)N[C@@H]1CN(CCCn2cnnn2)C[C@H]1C(C)C
InChIInChI=1S/C14H29N7O2S/c1-5-19(4)24(22,23)16-14-10-20(9-13(14)12(2)3)7-6-8-21-11-15-17-18-21/h11-14,16H,5-10H2,1-4H3/t13-,14+/m0/s1
InChIKeyCEQTVSVOMGKRCP-UONOGXRCSA-N
MW359.50 g/mol
LogP-0.19
Rot. Bonds9

About 1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole

1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole (PubChem CID 133111543) has the molecular formula C14H29N7O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole.

Molecular Properties

Compound Name1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole
PubChem CID133111543
Molecular FormulaC14H29N7O2S
Molecular Weight359.50 g/mol
Exact Mass359.21
IUPAC Name1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole
SMILESCCN(C)S(=O)(=O)N[C@@H]1CN(CCCn2cnnn2)C[C@H]1C(C)C
InChIInChI=1S/C14H29N7O2S/c1-5-19(4)24(22,23)16-14-10-20(9-13(14)12(2)3)7-6-8-21-11-15-17-18-21/h11-14,16H,5-10H2,1-4H3/t13-,14+/m0/s1
InChIKeyCEQTVSVOMGKRCP-UONOGXRCSA-N
XLogP-0.19
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 72906903
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CID 72914713
CID 72914713
CID 77848771
CID 77848771
CID 133110608
CID 133110608
CID 133119826
CID 133119826
CID 154897803
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CID 154898040
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CID 154898961

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole?
The IUPAC name of 1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole (CID 133111543) is 1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole.
What is the SMILES notation for 1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole?
The canonical SMILES for 1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole is CCN(C)S(=O)(=O)N[C@@H]1CN(CCCn2cnnn2)C[C@H]1C(C)C.
What is the InChIKey of 1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole?
The InChIKey is CEQTVSVOMGKRCP-UONOGXRCSA-N. The full InChI is InChI=1S/C14H29N7O2S/c1-5-19(4)24(22,23)16-14-10-20(9-13(14)12(2)3)7-6-8-21-11-15-17-18-21/h11-14,16H,5-10H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of 1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole?
1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole has a molecular weight of 359.50 g/mol, XLogP of -0.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S,4R)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propyl]tetrazole is sourced from PubChem (CID 133111543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).