N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide

C14H30N2O2S — CID 58821541

IUPACN-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide
SMILESCC(C)N[C@H](CN(CC1CC1)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C14H30N2O2S/c1-11(2)15-13(14(3,4)5)10-16(19(6,17)18)9-12-7-8-12/h11-13,15H,7-10H2,1-6H3/t13-/m1/s1
InChIKeyVMXNTXROYIDCFD-CYBMUJFWSA-N
MW290.47 g/mol
LogP2.07
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide

N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide (PubChem CID 58821541) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide
PubChem CID58821541
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide
SMILESCC(C)N[C@H](CN(CC1CC1)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C14H30N2O2S/c1-11(2)15-13(14(3,4)5)10-16(19(6,17)18)9-12-7-8-12/h11-13,15H,7-10H2,1-6H3/t13-/m1/s1
InChIKeyVMXNTXROYIDCFD-CYBMUJFWSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide (CID 58821541) is N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide is CC(C)N[C@H](CN(CC1CC1)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide?
The InChIKey is VMXNTXROYIDCFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-11(2)15-13(14(3,4)5)10-16(19(6,17)18)9-12-7-8-12/h11-13,15H,7-10H2,1-6H3/t13-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide?
N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide is sourced from PubChem (CID 58821541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).