N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide

C13H26N2O3S — CID 106611302

IUPACN-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCC(C)CN(CC1CCCN1)C(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-10(2)8-15(9-12-6-5-7-14-12)13(16)11(3)19(4,17)18/h10-12,14H,5-9H2,1-4H3
InChIKeyTXFAHTFYERAADF-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.66
Rot. Bonds6

About N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide

N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 106611302) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID106611302
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCC(C)CN(CC1CCCN1)C(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-10(2)8-15(9-12-6-5-7-14-12)13(16)11(3)19(4,17)18/h10-12,14H,5-9H2,1-4H3
InChIKeyTXFAHTFYERAADF-UHFFFAOYSA-N
XLogP0.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106611236
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106611032
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106611015
1-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 106611291
N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611256
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106611174
N-(2-methylpropyl)-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106611318
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608303
1,5-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106611340
1-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 106611146
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610197

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide (CID 106611302) is N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide is CC(C)CN(CC1CCCN1)C(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is TXFAHTFYERAADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-10(2)8-15(9-12-6-5-7-14-12)13(16)11(3)19(4,17)18/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide?
N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 290.43 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 106611302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).