N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide

C18H30N2OS — CID 71887575

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C18H30N2OS/c1-14(2)15-9-12-22-16(15)17(21)19-13-18(20(3)4)10-7-5-6-8-11-18/h9,12,14H,5-8,10-11,13H2,1-4H3,(H,19,21)
InChIKeyNMPSSGCDGZVAJN-UHFFFAOYSA-N
MW322.52 g/mol
LogP4.26
Rot. Bonds5

About N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide

N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide (PubChem CID 71887575) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide
PubChem CID71887575
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C18H30N2OS/c1-14(2)15-9-12-22-16(15)17(21)19-13-18(20(3)4)10-7-5-6-8-11-18/h9,12,14H,5-8,10-11,13H2,1-4H3,(H,19,21)
InChIKeyNMPSSGCDGZVAJN-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-propan-2-ylthiophene-2-carboxamide
CID 119382828
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95758195
5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide
CID 18165170
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
3-bromo-N-[(1-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 103753311
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 16559258
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide (CID 71887575) is N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide is CC(C)c1ccsc1C(=O)NCC1(N(C)C)CCCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide?
The InChIKey is NMPSSGCDGZVAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-14(2)15-9-12-22-16(15)17(21)19-13-18(20(3)4)10-7-5-6-8-11-18/h9,12,14H,5-8,10-11,13H2,1-4H3,(H,19,21).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide?
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide has a molecular weight of 322.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 71887575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).