(2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide

C13H23N5O3S — CID 94021049

IUPAC(2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C1CC1
InChIInChI=1S/C13H23N5O3S/c1-5-13(3,4)14-12(19)9(2)22(20,21)8-11-15-16-17-18(11)10-6-7-10/h9-10H,5-8H2,1-4H3,(H,14,19)/t9-/m1/s1
InChIKeyBVMMHNHZHGQONR-SECBINFHSA-N
MW329.43 g/mol
LogP0.62
Rot. Bonds7

About (2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide

(2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 94021049) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is (2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID94021049
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name(2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C1CC1
InChIInChI=1S/C13H23N5O3S/c1-5-13(3,4)14-12(19)9(2)22(20,21)8-11-15-16-17-18(11)10-6-7-10/h9-10H,5-8H2,1-4H3,(H,14,19)/t9-/m1/s1
InChIKeyBVMMHNHZHGQONR-SECBINFHSA-N
XLogP0.62
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of (2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide (CID 94021049) is (2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C1CC1.
What is the InChIKey of (2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is BVMMHNHZHGQONR-SECBINFHSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-5-13(3,4)14-12(19)9(2)22(20,21)8-11-15-16-17-18(11)10-6-7-10/h9-10H,5-8H2,1-4H3,(H,14,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide?
(2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 329.43 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 94021049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).