N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide

C10H21NO2S — CID 170081054

IUPACN-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
SMILESCC(C)[C@@H](C)N(CC1CC1)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-8(2)9(3)11(14(4,12)13)7-10-5-6-10/h8-10H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyUGECLDITOKVIEM-SECBINFHSA-N
MW219.35 g/mol
LogP1.70
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide

N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide (PubChem CID 170081054) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
PubChem CID170081054
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
SMILESCC(C)[C@@H](C)N(CC1CC1)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-8(2)9(3)11(14(4,12)13)7-10-5-6-10/h8-10H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyUGECLDITOKVIEM-SECBINFHSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide (CID 170081054) is N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide is CC(C)[C@@H](C)N(CC1CC1)S(C)(=O)=O.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide?
The InChIKey is UGECLDITOKVIEM-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)9(3)11(14(4,12)13)7-10-5-6-10/h8-10H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide?
N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide is sourced from PubChem (CID 170081054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).