N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

C13H24N2O3S — CID 106599566

IUPACN-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C13H24N2O3S/c16-19(17,10-13-4-2-8-18-13)15(12-5-6-12)9-11-3-1-7-14-11/h11-14H,1-10H2
InChIKeyAKVRYLLDUHPZSI-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.71
Rot. Bonds6

About N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (PubChem CID 106599566) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
PubChem CID106599566
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C13H24N2O3S/c16-19(17,10-13-4-2-8-18-13)15(12-5-6-12)9-11-3-1-7-14-11/h11-14H,1-10H2
InChIKeyAKVRYLLDUHPZSI-UHFFFAOYSA-N
XLogP0.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-cyclopropyl-N-(piperidin-2-ylmethyl)methanesulfonamide
CID 106630084
1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974117
N-ethyl-1-(oxolan-2-yl)-N-piperidin-3-ylmethanesulfonamide
CID 63246657
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)morpholine-4-sulfonamide
CID 106599499
N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246646
N-cyclopropyl-N-(piperidin-2-ylmethyl)oxane-4-sulfonamide
CID 106630051
N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
CID 106630038
N-cyclopropyl-N-(2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55001507
N-(dimethylsulfamoyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106630069
N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 104870155
N-(dipropylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599557
N-[3-(oxolan-2-yl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631701

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (CID 106599566) is N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is O=S(=O)(CC1CCCO1)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The InChIKey is AKVRYLLDUHPZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c16-19(17,10-13-4-2-8-18-13)15(12-5-6-12)9-11-3-1-7-14-11/h11-14H,1-10H2.
What are the key properties of N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide has a molecular weight of 288.41 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106599566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).