N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide

C15H26N2O3S — CID 164638102

IUPACN-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1oc(C(C)(C)C)cc1CN1CC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C15H26N2O3S/c1-11-12(8-14(20-11)15(2,3)4)9-17-7-6-13(10-17)16-21(5,18)19/h8,13,16H,6-7,9-10H2,1-5H3/t13-/m0/s1
InChIKeyMKZFENPFBCPYKH-ZDUSSCGKSA-N
MW314.45 g/mol
LogP2.01
Rot. Bonds4

About N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 164638102) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID164638102
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1oc(C(C)(C)C)cc1CN1CC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C15H26N2O3S/c1-11-12(8-14(20-11)15(2,3)4)9-17-7-6-13(10-17)16-21(5,18)19/h8,13,16H,6-7,9-10H2,1-5H3/t13-/m0/s1
InChIKeyMKZFENPFBCPYKH-ZDUSSCGKSA-N
XLogP2.01
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (CID 164638102) is N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is Cc1oc(C(C)(C)C)cc1CN1CC[C@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MKZFENPFBCPYKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-11-12(8-14(20-11)15(2,3)4)9-17-7-6-13(10-17)16-21(5,18)19/h8,13,16H,6-7,9-10H2,1-5H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 164638102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).